Pub. Date : 2020 Dec 1
PMID : 33130120
8 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | Multiscale simulations examining glycan shield effects on drug binding to influenza neuraminidase. | Polysaccharides | neuraminidase 1 | Homo sapiens |
| 2 | Glycans are present on neuraminidase, and are generally considered to inhibit antibody binding via their glycan shield. | Polysaccharides | neuraminidase 1 | Homo sapiens |
| 3 | In this work we studied the effect of glycans on the binding kinetics of antiviral drugs to the influenza neuraminidase. | Polysaccharides | neuraminidase 1 | Homo sapiens |
| 4 | We created all-atom in silico systems of influenza neuraminidase with experimentally-derived glycoprofiles consisting of four systems with different glycan conformations and one system without glycans. | Polysaccharides | neuraminidase 1 | Homo sapiens |
| 5 | We created all-atom in silico systems of influenza neuraminidase with experimentally-derived glycoprofiles consisting of four systems with different glycan conformations and one system without glycans. | Polysaccharides | neuraminidase 1 | Homo sapiens |
| 6 | Using Brownian dynamics simulations, we observe a two- to eight-fold decrease in the rate of ligand binding to the primary binding site of neuraminidase due to the presence of glycans. | Polysaccharides | neuraminidase 1 | Homo sapiens |
| 7 | These glycans are capable of covering much of the surface area of neuraminidase, and the ligand binding inhibition is derived from glycans sterically occluding the primary binding site on a neighboring monomer. | Polysaccharides | neuraminidase 1 | Homo sapiens |
| 8 | These results help illuminate the complex interplay between glycans and ligand binding on the influenza membrane protein neuraminidase. | Polysaccharides | neuraminidase 1 | Homo sapiens |